N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine

C16H14N4S — CID 1090335

IUPACN-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1cccn2cc(CNc3nc4ccccc4s3)nc12
InChIInChI=1S/C16H14N4S/c1-11-5-4-8-20-10-12(18-15(11)20)9-17-16-19-13-6-2-3-7-14(13)21-16/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyXAUNJGJRPVRUIE-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.86
Rot. Bonds3

About N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine

N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 1090335) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID1090335
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC NameN-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1cccn2cc(CNc3nc4ccccc4s3)nc12
InChIInChI=1S/C16H14N4S/c1-11-5-4-8-20-10-12(18-15(11)20)9-17-16-19-13-6-2-3-7-14(13)21-16/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyXAUNJGJRPVRUIE-UHFFFAOYSA-N
XLogP3.86
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 1090335) is N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine is Cc1cccn2cc(CNc3nc4ccccc4s3)nc12.
What is the InChIKey of N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is XAUNJGJRPVRUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-11-5-4-8-20-10-12(18-15(11)20)9-17-16-19-13-6-2-3-7-14(13)21-16/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine?
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 294.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 1090335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).